1-[3-(1H-imidazol-5-yl)phenyl]-2-(1-methylimidazol-2-yl)imidazole

C16H14N6 — CID 70742699

IUPAC1-[3-(1H-imidazol-5-yl)phenyl]-2-(1-methylimidazol-2-yl)imidazole
SMILESCn1ccnc1-c1nccn1-c1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C16H14N6/c1-21-7-5-18-15(21)16-19-6-8-22(16)13-4-2-3-12(9-13)14-10-17-11-20-14/h2-11H,1H3,(H,17,20)
InChIKeyIAVJNNAMLHRXGW-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.66
Rot. Bonds3

About 1-[3-(1H-imidazol-5-yl)phenyl]-2-(1-methylimidazol-2-yl)imidazole

1-[3-(1H-imidazol-5-yl)phenyl]-2-(1-methylimidazol-2-yl)imidazole (PubChem CID 70742699) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-5-yl)phenyl]-2-(1-methylimidazol-2-yl)imidazole.

Molecular Properties

Compound Name1-[3-(1H-imidazol-5-yl)phenyl]-2-(1-methylimidazol-2-yl)imidazole
PubChem CID70742699
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name1-[3-(1H-imidazol-5-yl)phenyl]-2-(1-methylimidazol-2-yl)imidazole
SMILESCn1ccnc1-c1nccn1-c1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C16H14N6/c1-21-7-5-18-15(21)16-19-6-8-22(16)13-4-2-3-12(9-13)14-10-17-11-20-14/h2-11H,1H3,(H,17,20)
InChIKeyIAVJNNAMLHRXGW-UHFFFAOYSA-N
XLogP2.66
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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BN-81,644
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2,4-Diphenylimidazole
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CID 194468
2,4-Disubstituted Pyrimidine 2b
CID 5329415

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-5-yl)phenyl]-2-(1-methylimidazol-2-yl)imidazole?
The IUPAC name of 1-[3-(1H-imidazol-5-yl)phenyl]-2-(1-methylimidazol-2-yl)imidazole (CID 70742699) is 1-[3-(1H-imidazol-5-yl)phenyl]-2-(1-methylimidazol-2-yl)imidazole.
What is the SMILES notation for 1-[3-(1H-imidazol-5-yl)phenyl]-2-(1-methylimidazol-2-yl)imidazole?
The canonical SMILES for 1-[3-(1H-imidazol-5-yl)phenyl]-2-(1-methylimidazol-2-yl)imidazole is Cn1ccnc1-c1nccn1-c1cccc(-c2cnc[nH]2)c1.
What is the InChIKey of 1-[3-(1H-imidazol-5-yl)phenyl]-2-(1-methylimidazol-2-yl)imidazole?
The InChIKey is IAVJNNAMLHRXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c1-21-7-5-18-15(21)16-19-6-8-22(16)13-4-2-3-12(9-13)14-10-17-11-20-14/h2-11H,1H3,(H,17,20).
What are the key properties of 1-[3-(1H-imidazol-5-yl)phenyl]-2-(1-methylimidazol-2-yl)imidazole?
1-[3-(1H-imidazol-5-yl)phenyl]-2-(1-methylimidazol-2-yl)imidazole has a molecular weight of 290.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-5-yl)phenyl]-2-(1-methylimidazol-2-yl)imidazole is sourced from PubChem (CID 70742699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).